{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10227","results":[{"id":"mp-1228300","created_at":"2022-09-04T14:46:58.838071Z","structure_string":"Ba6 Lu2 Ir2 Ru2 O18\n1.0\n2.956371 -5.120585 0.000000\n2.956371 5.120585 0.000000\n0.000000 0.000000 14.570489\nBa Lu Ir Ru O\n6 2 2 2 18\ndirect\n0.333333 0.666667 0.591622 Ba\n0.666667 0.333333 0.406705 Ba\n0.666667 0.333333 0.091622 Ba\n0.333333 0.666667 0.906705 Ba\n0.000000 0.000000 0.250148 Ba\n0.000000 0.000000 0.750148 Ba\n0.000000 0.000000 0.498946 Lu\n0.000000 0.000000 0.998946 Lu\n0.333333 0.666667 0.336677 Ir\n0.666667 0.333333 0.836677 Ir\n0.666667 0.333333 0.661972 Ru\n0.333333 0.666667 0.161972 Ru\n0.174055 0.825945 0.086868 O\n0.174055 0.348110 0.086868 O\n0.651890 0.825945 0.086868 O\n0.826242 0.173758 0.915233 O\n0.826242 0.652484 0.915233 O\n0.347516 0.173758 0.915233 O\n0.825945 0.174055 0.586868 O\n0.825945 0.651890 0.586868 O\n0.348110 0.174055 0.586868 O\n0.173758 0.826242 0.415233 O\n0.173758 0.347516 0.415233 O\n0.652484 0.826242 0.415233 O\n0.489771 0.510229 0.249210 O\n0.489771 0.979542 0.249210 O\n0.020458 0.510229 0.249210 O\n0.510229 0.489771 0.749210 O\n0.510229 0.020458 0.749210 O\n0.979542 0.489771 0.749210 O\n","nsites":30,"nelements":5,"elements":["Ba","Lu","Ir","Ru","O"],"chemical_system":"Ba-Ir-Lu-O-Ru","density":7.710699525035479,"density_atomic":0.06800465136997953,"volume":441.14629507891897,"volume_molar":8.855483615725818,"formula_full":"Ba6 Lu2 Ir2 Ru2 O18","formula_reduced":"Ba3LuIrRuO9","formula_anonymous":"ABCD3E9","energy":-224.33104785,"energy_per_atom":-7.477701595,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.96504785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000923,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.975000Z","spacegroup":186},{"id":"mp-978678","created_at":"2022-09-04T14:46:59.372083Z","structure_string":"Sm2 B4 Os4\n1.0\n0.000000 4.535303 4.974645\n3.333913 0.000000 4.974645\n3.333913 4.535303 0.000000\nSm B Os\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Sm\n0.687824 0.312176 0.687824 B\n0.312176 0.687824 0.312176 B\n0.937824 0.562176 0.937824 B\n0.562176 0.937824 0.562176 B\n0.612598 0.612598 0.887402 Os\n0.637402 0.637402 0.362598 Os\n0.362598 0.362598 0.637402 Os\n0.887402 0.887402 0.612598 Os\n","nsites":10,"nelements":3,"elements":["Sm","B","Os"],"chemical_system":"B-Os-Sm","density":12.195879436469033,"density_atomic":0.0664733154645982,"volume":150.43630560786028,"volume_molar":9.05948607784912,"formula_full":"Sm2 B4 Os4","formula_reduced":"Sm(BOs)2","formula_anonymous":"AB2C2","energy":-85.57933742,"energy_per_atom":-8.557933742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.57933742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.25e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.978000Z","spacegroup":70},{"id":"mp-551283","created_at":"2022-09-04T14:46:57.099135Z","structure_string":"Na2 Cu2 Te1 O6\n1.0\n5.133175 0.030620 -1.201866\n-2.374720 4.550973 -1.201872\n-0.039239 -0.065180 6.040859\nNa Cu Te O\n2 2 1 6\ndirect\n0.815682 0.184331 0.500001 Na\n0.184334 0.815677 0.500001 Na\n0.334812 0.664897 0.999984 Cu\n0.665177 0.335025 0.000008 Cu\n0.000025 0.999993 0.000001 Te\n0.756765 0.756776 0.159378 O\n0.024687 0.353050 0.216252 O\n0.243233 0.243242 0.840625 O\n0.353006 0.024685 0.216213 O\n0.975326 0.647005 0.783790 O\n0.646953 0.975318 0.783748 O\n","nsites":11,"nelements":4,"elements":["Na","Cu","Te","O"],"chemical_system":"Cu-Na-O-Te","density":4.679537030008863,"density_atomic":0.0781482715195646,"volume":140.75807162601316,"volume_molar":7.706044731254668,"formula_full":"Na2 Cu2 Te1 O6","formula_reduced":"Na2Cu2TeO6","formula_anonymous":"AB2C2D6","energy":-60.09713555,"energy_per_atom":-5.463375959090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.97513555,"band_gap":0.0663999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0005612,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.979000Z","spacegroup":12},{"id":"mp-2689","created_at":"2022-09-04T14:47:01.885615Z","structure_string":"Th1 Fe5\n1.0\n2.535532 -4.391671 0.000000\n2.535532 4.391671 0.000000\n0.000000 0.000000 4.044002\nTh Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n","nsites":6,"nelements":2,"elements":["Th","Fe"],"chemical_system":"Fe-Th","density":9.426560549000355,"density_atomic":0.06662097730474896,"volume":90.06172293981494,"volume_molar":9.03940621052811,"formula_full":"Th1 Fe5","formula_reduced":"ThFe5","formula_anonymous":"AB5","energy":-50.08849774000001,"energy_per_atom":-8.348082956666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.08849774000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.2781113,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.985000Z","spacegroup":191},{"id":"mp-23779","created_at":"2022-09-04T14:46:56.493992Z","structure_string":"K6 H2 S4 O16\n1.0\n2.888431 7.505523 0.000000\n-2.888431 7.505523 0.000000\n0.000000 2.212802 9.698979\nK H S O\n6 2 4 16\ndirect\n0.752923 0.247077 0.250000 K\n0.247077 0.752923 0.750000 K\n0.036953 0.578014 0.152303 K\n0.421986 0.963047 0.347697 K\n0.963047 0.421986 0.847697 K\n0.578014 0.036953 0.652303 K\n0.500000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.839525 0.392229 0.537017 S\n0.607771 0.160475 0.962983 S\n0.160475 0.607771 0.462983 S\n0.392229 0.839525 0.037017 S\n0.676430 0.632075 0.596833 O\n0.367925 0.323570 0.903167 O\n0.323570 0.367925 0.403167 O\n0.632075 0.676430 0.096833 O\n0.068537 0.185537 0.608508 O\n0.814463 0.931463 0.891492 O\n0.931463 0.814463 0.391492 O\n0.185537 0.068537 0.108508 O\n0.331691 0.690720 0.058249 O\n0.309280 0.668309 0.441751 O\n0.668309 0.309280 0.941751 O\n0.690720 0.331691 0.558249 O\n0.412881 0.892327 0.886002 O\n0.107673 0.587119 0.613998 O\n0.587119 0.107673 0.113998 O\n0.892327 0.412881 0.386002 O\n","nsites":28,"nelements":4,"elements":["K","H","S","O"],"chemical_system":"H-K-O-S","density":2.4515517415282524,"density_atomic":0.06658234076474391,"volume":420.5319260092206,"volume_molar":9.044651616076541,"formula_full":"K6 H2 S4 O16","formula_reduced":"K3H(SO4)2","formula_anonymous":"AB2C3D8","energy":-168.39237470999998,"energy_per_atom":-6.014013382499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.40037471,"band_gap":5.4133,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005508,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.985000Z","spacegroup":15},{"id":"mp-1077403","created_at":"2022-09-04T14:46:59.736572Z","structure_string":"Sr2 Co2 O2\n1.0\n4.318316 -7.479542 0.000000\n4.318316 7.479542 0.000000\n0.000000 0.000000 7.015163\nSr Co O\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n","nsites":6,"nelements":3,"elements":["Sr","Co","O"],"chemical_system":"Co-O-Sr","density":1.1912853838744237,"density_atomic":0.01324018531263981,"volume":453.16586273698675,"volume_molar":45.483810217149546,"formula_full":"Sr2 Co2 O2","formula_reduced":"SrCoO","formula_anonymous":"ABC","energy":-26.92622636,"energy_per_atom":-4.487704393333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.27622636,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6553499,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.987000Z","spacegroup":194},{"id":"mp-1102437","created_at":"2022-09-04T14:47:02.405867Z","structure_string":"Th3 Co9\n1.0\n-2.485081 -4.304287 0.000000\n-4.970162 0.000000 0.000000\n-2.485081 -1.434762 -8.474935\nTh Co\n3 9\ndirect\n0.863311 0.863311 0.410067 Th\n0.136689 0.136689 0.589933 Th\n0.000000 0.000000 0.000000 Th\n0.421178 0.421178 0.239637 Co\n0.918007 0.421178 0.239637 Co\n0.421178 0.918007 0.239637 Co\n0.578822 0.578822 0.760363 Co\n0.081993 0.578822 0.760363 Co\n0.578822 0.081993 0.760363 Co\n0.667397 0.667397 0.997808 Co\n0.332603 0.332603 0.002192 Co\n0.500000 0.500000 0.500000 Co\n","nsites":12,"nelements":2,"elements":["Th","Co"],"chemical_system":"Co-Th","density":11.233448231000265,"density_atomic":0.06618706209467064,"volume":181.30431568084717,"volume_molar":9.098667578546141,"formula_full":"Th3 Co9","formula_reduced":"ThCo3","formula_anonymous":"AB3","energy":-88.35255352,"energy_per_atom":-7.362712793333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.35255352,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6763607,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.990000Z","spacegroup":166},{"id":"mp-557107","created_at":"2022-09-04T14:46:58.562012Z","structure_string":"Ni4 B16 O28\n1.0\n0.000000 5.556227 3.253624\n-5.218394 0.017481 6.341155\n5.218394 0.017481 6.341155\nNi B O\n4 16 28\ndirect\n0.746228 0.125000 0.875000 Ni\n0.253772 0.375000 0.625000 Ni\n0.746228 0.625000 0.375000 Ni\n0.253772 0.875000 0.125000 Ni\n0.929336 0.758930 0.008930 B\n0.929336 0.258930 0.508930 B\n0.302803 0.508930 0.258930 B\n0.302803 0.008930 0.758930 B\n0.697197 0.991070 0.241070 B\n0.697197 0.491070 0.741070 B\n0.070664 0.741070 0.491070 B\n0.070664 0.241070 0.991070 B\n0.701818 0.798182 0.798182 B\n0.701818 0.298182 0.298182 B\n0.701818 0.548182 0.048182 B\n0.701818 0.048182 0.548182 B\n0.298182 0.201818 0.201818 B\n0.298182 0.701818 0.701818 B\n0.298182 0.951818 0.451818 B\n0.298182 0.451818 0.951818 B\n0.070241 0.625000 0.375000 O\n0.070241 0.125000 0.875000 O\n0.929759 0.875000 0.125000 O\n0.929759 0.375000 0.625000 O\n0.198265 0.153226 0.403226 O\n0.198265 0.653226 0.903226 O\n0.754717 0.596774 0.846774 O\n0.754717 0.096774 0.346774 O\n0.245283 0.903226 0.653226 O\n0.245283 0.403226 0.153226 O\n0.801735 0.346774 0.096774 O\n0.801735 0.846774 0.596774 O\n0.811707 0.861694 0.884768 O\n0.811707 0.361694 0.384768 O\n0.558169 0.888306 0.365232 O\n0.558169 0.388306 0.865232 O\n0.188293 0.638306 0.615232 O\n0.188293 0.138306 0.115232 O\n0.558169 0.115232 0.138306 O\n0.558169 0.615232 0.638306 O\n0.188293 0.865232 0.388306 O\n0.188293 0.365232 0.888306 O\n0.441831 0.384768 0.361694 O\n0.441831 0.884768 0.861694 O\n0.441831 0.611694 0.134768 O\n0.441831 0.111694 0.634768 O\n0.811707 0.634768 0.111694 O\n0.811707 0.134768 0.611694 O\n","nsites":48,"nelements":3,"elements":["Ni","B","O"],"chemical_system":"B-Ni-O","density":3.870559201523433,"density_atomic":0.1307457786236588,"volume":367.12466364336046,"volume_molar":4.605992501933273,"formula_full":"Ni4 B16 O28","formula_reduced":"NiB4O7","formula_anonymous":"AB4C7","energy":-390.23563216,"energy_per_atom":-8.129909003333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.83563216,"band_gap":2.1423,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.990000Z","spacegroup":63},{"id":"mp-1183447","created_at":"2022-09-04T14:46:56.496497Z","structure_string":"Be1 Pd1 O3\n1.0\n3.498451 0.000000 0.000000\n0.000000 3.498451 0.000000\n0.000000 0.000000 3.498451\nBe Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Be","Pd","O"],"chemical_system":"Be-O-Pd","density":6.33803315723255,"density_atomic":0.11677304843964648,"volume":42.81809943999384,"volume_molar":5.157132438066401,"formula_full":"Be1 Pd1 O3","formula_reduced":"BePdO3","formula_anonymous":"ABC3","energy":-28.01353482,"energy_per_atom":-5.602706964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.95253482,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017675,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.993000Z","spacegroup":221},{"id":"mp-571568","created_at":"2022-09-04T14:46:55.253797Z","structure_string":"Cd8 I16\n1.0\n2.166330 -3.752194 0.000000\n2.166330 3.752194 0.000000\n0.000000 0.000000 59.299588\nCd I\n8 16\ndirect\n0.000000 0.000000 0.781247 Cd\n0.000000 0.000000 0.406223 Cd\n0.000000 0.000000 0.906222 Cd\n0.666667 0.333333 0.031282 Cd\n0.666667 0.333333 0.531280 Cd\n0.000000 0.000000 0.156224 Cd\n0.000000 0.000000 0.656225 Cd\n0.666667 0.333333 0.281281 Cd\n0.333333 0.666667 0.810354 I\n0.333333 0.666667 0.560374 I\n0.666667 0.333333 0.127117 I\n0.000000 0.000000 0.252199 I\n0.333333 0.666667 0.060376 I\n0.333333 0.666667 0.435332 I\n0.666667 0.333333 0.627115 I\n0.333333 0.666667 0.185333 I\n0.666667 0.333333 0.877115 I\n0.666667 0.333333 0.752146 I\n0.333333 0.666667 0.310375 I\n0.333333 0.666667 0.935330 I\n0.666667 0.333333 0.377115 I\n0.000000 0.000000 0.002200 I\n0.333333 0.666667 0.685336 I\n0.000000 0.000000 0.502198 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.046490979407454,"density_atomic":0.024895432263380566,"volume":964.0322668870592,"volume_molar":24.18974170156566,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy":-51.87875584,"energy_per_atom":-2.1616148266666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.81475584,"band_gap":2.4128,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.995000Z","spacegroup":156},{"id":"mp-11243","created_at":"2022-09-04T14:47:08.667574Z","structure_string":"Er2 Au2\n1.0\n1.851415 -5.447986 0.000000\n1.851415 5.447986 0.000000\n0.000000 0.000000 4.661323\nEr Au\n2 2\ndirect\n0.861090 0.138910 0.250000 Er\n0.138910 0.861090 0.750000 Er\n0.589124 0.410876 0.250000 Au\n0.410876 0.589124 0.750000 Au\n","nsites":4,"nelements":2,"elements":["Er","Au"],"chemical_system":"Au-Er","density":12.863838207649849,"density_atomic":0.04253838885600299,"volume":94.03271039578931,"volume_molar":14.156955451193962,"formula_full":"Er2 Au2","formula_reduced":"ErAu","formula_anonymous":"AB","energy":-19.28189271,"energy_per_atom":-4.8204731775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.28189271,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000351,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.998000Z","spacegroup":63},{"id":"mp-1233184","created_at":"2022-09-04T14:47:02.752519Z","structure_string":"K2 Ca1 Nd4 Nb2 O12\n1.0\n5.893470 0.154023 0.184380\n-2.834669 6.189972 -1.738232\n0.293163 0.159084 8.929166\nK Ca Nd Nb O\n2 1 4 2 12\ndirect\n0.126106 0.235502 0.470365 K\n0.996809 0.809736 0.634965 K\n0.690551 0.613453 0.366196 Ca\n0.154740 0.289168 0.940743 Nd\n0.547305 0.109356 0.179554 Nd\n0.456093 0.821840 0.786020 Nd\n0.890785 0.750450 0.040677 Nd\n0.689657 0.324363 0.698768 Nb\n0.250413 0.647108 0.279445 Nb\n0.021141 0.531926 0.813808 O\n0.160774 0.886979 0.287870 O\n0.257989 0.988979 0.976392 O\n0.809558 0.104553 0.699201 O\n0.634985 0.851307 0.262318 O\n0.775276 0.007905 0.980784 O\n0.359069 0.135556 0.718968 O\n0.925019 0.458720 0.170595 O\n0.704378 0.363274 0.496188 O\n0.375297 0.669401 0.503011 O\n0.369873 0.395317 0.195127 O\n0.575016 0.551407 0.834719 O\n","nsites":21,"nelements":5,"elements":["K","Ca","Nd","Nb","O"],"chemical_system":"Ca-K-Nb-Nd-O","density":5.386913798203342,"density_atomic":0.06348790686948567,"volume":330.7716545636075,"volume_molar":9.485492681905432,"formula_full":"K2 Ca1 Nd4 Nb2 O12","formula_reduced":"K2CaNd4Nb2O12","formula_anonymous":"AB2C2D4E12","energy":-167.96893288,"energy_per_atom":-7.9985206133333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.72493288,"band_gap":0.4659999999999993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.999000Z","spacegroup":1}]}